SCHEMBL9536624

SCHEMBL9536624

c1cnc(NCCN2CCC(Cc3nc4cccnc4n3Cc3ccco3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.47
LMNA P02545 1/20 0.39
MAPK1 P28482 4/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
RUNX1 Q01196 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
CBFB Q13951 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9536155 0.89 USP2 (0.42) SLC6A9MAPK1HPGDPOLBALDH1A1
SCHEMBL10552371 0.88 SLC6A9 (0.49) SLC6A9LMNAMAPK1HPGDPOLB
SCHEMBL9537181 0.87 SLC6A9 (0.49) SLC6A9LMNAMAPK1HPGDPOLB
SCHEMBL9536805 0.85 SLC6A9 (0.51) SLC6A9LMNAMAPK1HPGDPOLB
SCHEMBL9536208 0.84 SLC6A9 (0.41) SLC6A9LMNAMAPK1HPGDPOLB
SCHEMBL9536826 0.84 TP53 (0.51) SLC6A9LMNAMAPK1HPGDPOLB
SCHEMBL1152440 0.84 HPGD (0.38) LMNAMAPK1HPGDPOLBALDH1A1
SCHEMBL9538015 0.84 SLC6A9 (0.65) SLC6A9LMNAPOLBALDH1A1HSD17B10
SCHEMBL9537207 0.83 SLC6A9 (0.47) SLC6A9LMNAMAPK1HPGDPOLB
SCHEMBL9535415 0.83 SLC6A9 (0.55) SLC6A9LMNAPOLBMAPTTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed